7-hydroxy-2,2-dimethylheptanoyl chloride

C9H17ClO2 — CID 138737346

IUPAC7-hydroxy-2,2-dimethylheptanoyl chloride
SMILESCC(C)(CCCCCO)C(=O)Cl
InChIInChI=1S/C9H17ClO2/c1-9(2,8(10)12)6-4-3-5-7-11/h11H,3-7H2,1-2H3
InChIKeyZFFNMIIMZTXGLY-UHFFFAOYSA-N
MW192.69 g/mol
LogP2.33
Rot. Bonds6

About 7-hydroxy-2,2-dimethylheptanoyl chloride

7-hydroxy-2,2-dimethylheptanoyl chloride (PubChem CID 138737346) has the molecular formula C9H17ClO2 and a molecular weight of 192.69 g/mol. Its IUPAC name is 7-hydroxy-2,2-dimethylheptanoyl chloride.

Molecular Properties

Compound Name7-hydroxy-2,2-dimethylheptanoyl chloride
PubChem CID138737346
Molecular FormulaC9H17ClO2
Molecular Weight192.69 g/mol
Exact Mass192.09
IUPAC Name7-hydroxy-2,2-dimethylheptanoyl chloride
SMILESCC(C)(CCCCCO)C(=O)Cl
InChIInChI=1S/C9H17ClO2/c1-9(2,8(10)12)6-4-3-5-7-11/h11H,3-7H2,1-2H3
InChIKeyZFFNMIIMZTXGLY-UHFFFAOYSA-N
XLogP2.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyldodecanoyl chloride
CID 15656432
18-hydroxy-2,2-dimethyloctadecanoic acid
CID 12988628
6-hydroxy-2,2-dimethylhexanamide
CID 21402976
6-(6-chloro-5,5-dimethyl-6-oxohexoxy)-2,2-dimethylhexanoyl chloride
CID 87462596
5-hydroxy-2,2-dimethylpentanethioic S-acid
CID 87178053
azane;5-hydroxy-2,2-dimethylpentanoic acid
CID 172678902
7-chloro-7-methyloctan-1-ol
CID 139625698
tert-butyl 6-hydroxy-2,2-dimethylhexanoate
CID 121332916
ethyl 6-hydroxy-2,2-dimethylhexanoate
CID 57424988
2-(4-hydroxybutyl)-2-methylpropanedioic acid
CID 11788743
6-(4-chlorophenoxy)-2,2-dimethylhexanoyl chloride
CID 10039793
butane-1,4-diol;bis(carbonochloridic acid)
CID 53446623

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,2-dimethylheptanoyl chloride?
The IUPAC name of 7-hydroxy-2,2-dimethylheptanoyl chloride (CID 138737346) is 7-hydroxy-2,2-dimethylheptanoyl chloride.
What is the SMILES notation for 7-hydroxy-2,2-dimethylheptanoyl chloride?
The canonical SMILES for 7-hydroxy-2,2-dimethylheptanoyl chloride is CC(C)(CCCCCO)C(=O)Cl.
What is the InChIKey of 7-hydroxy-2,2-dimethylheptanoyl chloride?
The InChIKey is ZFFNMIIMZTXGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO2/c1-9(2,8(10)12)6-4-3-5-7-11/h11H,3-7H2,1-2H3.
What are the key properties of 7-hydroxy-2,2-dimethylheptanoyl chloride?
7-hydroxy-2,2-dimethylheptanoyl chloride has a molecular weight of 192.69 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,2-dimethylheptanoyl chloride is sourced from PubChem (CID 138737346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).